Geometry & MOs

Info

ID:

82487

PubChem CID:

49856091

Reduced:

ClFO3N8H18C21 (1)

Stoich.:

ABC3D8E18F21 (1)

Weight, g/mol:

497.15783

ΔHf, kcal/mol:

-0.46

Dipole, Da:

2.28

IP(EA), eV:

 -8.35(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyphenyl)-1-[(2-hydroxy-4,4-dimethyl-1,3-oxazolidin-2-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC(=O)N5CC(C5)F

DOS

IR

Vibrations